methyl 11-[2-(quinolin-8-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-[2-(quinolin-8-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[2-(8-quinolylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-(8-quinolinylsulfonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-(quinolin-8-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[2-(8-quinolylsulfonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C27H24N2O5S2 MolecularWeight: 520.61986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H24N2O5S2/c1-33-27(30)19-11-12-23-22(16-19)26(21-9-3-2-6-20(21)17-34-23)35-15-14-29-36(31,32)24-10-4-7-18-8-5-13-28-25(18)24/h2-13,16,26,29H,14-15,17H2,1H3